76-59-5
Product Name:
Bromothymol Blue
Formula:
C27H28Br2O5S
Synonyms:
3′,3′′-Dibromothymolsulfonphthalein, BTB;3′,3″-Dibromothymolsulfonphthalein;3,3`-Dibromethylmolsulfonphthalein;Bromothymol Blue
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Odorless white to cream-colored solid; Available as pure compound, monosodium salt, and dilute solutions; [CHEMINFO] |
|---|---|
| Chemical Classes | Dyes -> Indicator Dyes |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H226:Flammable liquids H319:Serious eye damage/eye irritation H340:Germ cell mutagenicity H360:Reproductive toxicity H372:Specific target organ toxicity, repeated exposure H373:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 624.4 g/mol |
|---|---|
| XLogP3 | 7.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 624.00037 g/mol |
| Monoisotopic Mass | 622.00242 g/mol |
| Topological Polar Surface Area | 92.2 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 818 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Bromothymol blue is a member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl groups. It has a role as an acid-base indicator, a dye and a two-colour indicator. It is a 2,1-benzoxathiole, an arenesulfonate ester, an organobromine compound, a polyphenol and a sultone.